Browsing by Subject "Ab Initio"

Now showing items 1-2 of 2

    • Ab Initio Study of Nanostructures for Energy Storage 
      Cristancho Albarracin, Dahiyana (2014-05-07)
      Nanomaterials are expected to overcome the challenges imposed from bulk materials in the design of electronic devices. With the help of nanotechnology smaller, lighter, and more energy efficient materials can be used in ...
    • An ab-initio analysis of bimetallic oligoaniline molecular junctions 
      Wang, Michael Wei-Lueng (Texas A&M University, 2007-09-17)
      The electron transport characteristics of Oligoaniline molecular junctions terminated with thiol-ends are analyzed with the density functional theory and the Green's function approach. The molecular junction consists of ...